4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole

C20H22N4 — CID 170253954

IUPAC4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole
SMILESCc1c(C)c(-c2c(C)c(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2
InChIInChI=1S/C20H22N4/c1-9-11(3)15(19-17(13(9)5)21-7-23-19)16-12(4)10(2)14(6)18-20(16)24-8-22-18/h7-8H2,1-6H3
InChIKeyLMMFDNUWDWXCMT-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.62
Rot. Bonds1

About 4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole

4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole (PubChem CID 170253954) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole.

Molecular Properties

Compound Name4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole
PubChem CID170253954
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole
SMILESCc1c(C)c(-c2c(C)c(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2
InChIInChI=1S/C20H22N4/c1-9-11(3)15(19-17(13(9)5)21-7-23-19)16-12(4)10(2)14(6)18-20(16)24-8-22-18/h7-8H2,1-6H3
InChIKeyLMMFDNUWDWXCMT-UHFFFAOYSA-N
XLogP1.62
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole?
The IUPAC name of 4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole (CID 170253954) is 4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole.
What is the SMILES notation for 4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole?
The canonical SMILES for 4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole is Cc1c(C)c(-c2c(C)c(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2.
What is the InChIKey of 4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole?
The InChIKey is LMMFDNUWDWXCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-9-11(3)15(19-17(13(9)5)21-7-23-19)16-12(4)10(2)14(6)18-20(16)24-8-22-18/h7-8H2,1-6H3.
What are the key properties of 4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole?
4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole has a molecular weight of 318.42 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-7-(5,6,7-trimethyl-2H-benzimidazol-4-yl)-2H-benzimidazole is sourced from PubChem (CID 170253954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).